⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6067499 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL6067321 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL6067034 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL6066596 | 0.84 | — | — | |
| SCHEMBL6447614 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6067107 | 0.79 | — | — | |
| SCHEMBL7179633 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6443598 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6067308 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6067506 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7148173-B2 | Catalytic systems for the polymerization and copolymerization of alpha-olefins | REPSOL QUIMICA, S.A. (ES) | 2006-12-12 | — | — | US | disclosed |
| US-20030191013-A1 | CATALYTIC SYSTEMS FOR THE POLYMERIZATION AND COPOLYMERIZATION OF ALPHA-OLEFINS | REPSOL QUIMICA S.A. (ES) | 2003-10-09 | — | — | US | disclosed |